Ethyl vanillin isobutyrate (CAS 188417-26-7) — Sweet Heart to base Note Fragrance Ingredient
Ethyl vanillin isobutyrate
CAS 188417-26-7
What Is Ethyl vanillin isobutyrate?
Ethyl vanillin isobutyrate is a synthetic fragrance ingredient used to enhance vanilla and sweet gourmand notes in perfumes, candles, and baked goods. It’s often found in dessert-scented body care products and air fresheners. This molecule matters because it provides superior stability compared to natural vanillin, resisting discoloration in products while delivering a rich, creamy vanilla-caramel aroma that persists longer on skin and fabric.
Safety Profile
GENERALLY SAFEWhat Does Ethyl vanillin isobutyrate Smell Like?
Ethyl vanillin isobutyrate bursts with a warm, buttery vanilla top note reminiscent of crème brûlée fresh from the torch. As it evolves, the scent deepens into a caramelized sugar heart with hints of toasted marshmallow and rum-soaked raisins. The dry-down reveals a creamy, lactonic undertone that lingers like the last traces of custard in a dessert glass. Unlike straight vanillin, it carries a rounded, almost plush quality that avoids sharpness – imagine vanilla bean paste swirled into brown butter rather than crystalline extract.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used here to amplify the coffee-vanilla accord, adding a caramelized depth that prevents the sweetness from becoming cloying. The isobutyrate ester contributes to the fragrance’s addictive, gourmand trail.
Provides the creamy vanilla foundation that blends with patchouli and iris. Its stability allows the gourmand character to persist through the fragrance’s evolution.
Works alongside tonka bean to create a more complex vanilla impression in this amber fougère. The ester’s buttery quality complements the fragrance’s minty opening.
Serves as the primary vanilla modifier in this linear scent, adding a baked goods dimension that distinguishes it from single-note vanillin compositions.
Used at high concentration to create a vanilla absolute illusion, with the isobutyrate ester mimicking the fatty, rounded aspects of natural vanilla pods.
2D Molecular Structure
SMILES: CCOC1=CC(C=O)=CC=C1OC(=O)C(C)C
Chemistry, Properties & Perfumer Guide
The Chemistry
Ethyl vanillin isobutyrate is an ester derivative where vanillin’s phenolic hydroxyl group is esterified with isobutyric acid. This modification increases molecular weight and hydrophobicity compared to vanillin, altering volatility and tenacity. Synthesized via Fischer esterification, the compound exhibits greater photostability than its parent molecule due to the absence of free phenolic groups susceptible to oxidation. The isobutyrate side chain introduces conformational restrictions that influence odor perception, pushing the scent profile toward creamier, more lactonic territories than simple vanillin.
Physical & Chemical Properties
| Appearance | White to off-white crystalline powder |
|---|---|
| Melting Point | 78-82 °C |
| Solubility | Soluble in ethanol, propylene glycol; insoluble in water |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Used as vanilla modifier |
| Candles | 2-4% | Up to 7% | Heat-stable vanilla base |
| Soap | 0.5-1.5% | Up to 2% | Prevents discoloration |
| Baked Goods | 10-50 ppm | Up to 100 ppm | Buttery vanilla enhancer |
Classic Accords
Tip: Combine with ionones to create a velvety texture that bridges floral and gourmand elements.
Alternatives & Comparisons
More affordable but lacks creaminess; use when straightforward vanilla impact is needed without gourmand complexity.
Offers similar benefits with a fruitier, slightly wine-like nuance better suited for berry and tropical compositions.
For non-gourmand vanilla effects in floral compositions, though it carries a more powdery, cherry-like character.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No restrictions under IFRA 51st Amendment. Not currently listed on any prohibited or restricted substance lists.
RIFM Assessment
Considered safe for current fragrance use levels based on RIFM’s quantitative risk assessment (QRA) approach.
Sustainability
As a synthetic material, ethyl vanillin isobutyrate offers consistent quality without agricultural land use. Production typically employs green chemistry principles with atom-efficient esterification methods. Unlike natural vanilla, it’s not subject to crop failures or price volatility, though it relies on petrochemical feedstocks. Some manufacturers are exploring bio-based routes using ferulic acid from rice bran as a starting material.
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References
- Burdock, G.A. (2010). Fenaroli’s Handbook of Flavor Ingredients. CRC Press. ISBN 9781420090866
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 188417-26-7Physical Properties
| Molecular Weight | 236.26 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 2.5🔬 PubChem |
| Boiling Point | 295 °C🔬 EPA CompTox |
| log Kp (skin permeability) | -2.366💻 Calculated |
| SMILES | CCOC1=C(C=CC(=C1)C=O)OC(=O)C(C)C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Base💻 Calculated |
Odor & Flavor
| Primary Descriptors | balsamicsweet• leffingwell |
| Functional Groups | aldehydeesteretheraromatic💻 RDKit |
Physical data: PubChem (NIH/NLM), U.S. EPA CompTox Dashboard, EPA OPERA models, RDKit. Odor & flavor: Arctander (Perfume & Flavor Chemicals), Fenaroli's Handbook of Flavor Ingredients, Leffingwell. Thresholds: van Gemert (Compilations of Odour Threshold Values). Regulatory: IFRA Standards 51st, FEMA GRAS. Trade names: Surburg (Common Fragrance & Flavor Materials). All data compiled and cross-referenced for perfumertools.com.
Physicochemical Properties
DTXSID: DTXSID20870181
Physical Properties
| Molecular Weight | 236.267 g/mol🔬 EPA CompTox |
| Density | 1.102 g/cm^3📊 OPERA |
| Boiling Point | 295.5 °C🔬 EPA CTX |
| Melting Point | 57 °C🔬 EPA CTX |
| Flash Point | 141.615 °C📊 OPERA |
| Refractive Index | 1.522 Dimensionless📊 OPERA |
| Molar Volume | 212.627 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.391 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 2.391 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.391 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 7.45 Log10 unitless📊 OPERA |
| Water Solubility | 0.001 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0 mmHg📊 OPERA |
| Viscosity | 10.326 cP📊 OPERA |
| Surface Tension | 37.356 dyn/cm📊 OPERA |
| Thermal Conductivity | 137.706 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 52.6 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 4 count💻 Computed |
| Rotatable Bonds | 5 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 64.882 cm^3/mol📊 OPERA |
| Polarizability | 25.721 Å^3📊 OPERA |
Data Sources:
🔬 EPA Experimental data from U.S. EPA CompTox Chemicals Dashboard & CTX APIs. 📊 OPERA Predicted using EPA's OPERA QSAR models. 💻 Computed Calculated from SMILES using RDKit.
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